SCHEMBL3076346

SCHEMBL3076346

COC(=O)c1cc(N)cc(C2OCCO2)c1C1OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
CFTR P13569 3/20 0.40
GAA P10253 5/20 0.40
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
ABL1 P00519 1/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NQO2 P16083 2/20 0.35
OPRK1 P41145 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3076329 0.84 ALDH1A1 (0.38) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL3071700 0.82 KDM4E (0.37) KDM4EALDH1A1CFTRHSD17B10HPGD
SCHEMBL3064685 0.78 KDM4E (0.39) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL3074035 0.76 CYP3A4 (0.38) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL3058649 0.75 KDM4E (0.34) KDM4EALDH1A1CFTRHSD17B10HPGD
SCHEMBL3058533 0.75 KDM4E (0.39) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL31056174 0.71 KDM4E (0.50) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL31562734 0.71 KDM4E (0.54) KDM4EALDH1A1CFTRGAAHSD17B10
SCHEMBL29148117 0.71 NR4A2 (0.43) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL30689803 0.70 GAA (0.45) KDM4EALDH1A1CFTRGAAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
EP-2167484-B1 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2167484-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES Syngeta Participations AG (CH) 2010-03-31 EP disclosed
WO-2009010260-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273830-A1 NOVEL INSECTICIDES NR5A2, NR2C2, NOX5 KDM4E 2195/4885ALDH1A1 1573/4885CFTR 3176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.